Chem
J-GLOBAL ID：200907010213792410   Nikkaji number：J781.723A

Apicidin

アピシジン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C34H49N5O6
Molecular formula furigana： C34-H49-N5-O6
Molecular weight： 623.795
InChI： InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
InChI key： JWOGUUIOCYMBPV-GMFLJSBRSA-N
SMILES： CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Systematic name  (4)：
  • シクロ[L-Ile-D-Pip-[(S)-2-アミノ*-8-オキソデカノイル]-1-メトキシ-L-Trp-]
  • シクロ[D-Hpr-6-(2-オキソブチル)-L-Nle-1-メトキシ-L-Trp-L-Ile-]
  • (3S,6S,9S,15aR)-9-[(2S)-ブタン-2-イル]-6-[(1-メトキシ-1H-インドール-3-イル)メチル]-3-(6-オキソオクチル)-テトラデカヒドロ-1H-ピリド[1,2-a]1,4,7,10-テトラアザシクロドデカン-1,4,7,10-テトラオン
  • (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-6-[(1-methoxy-1H-indol-3-yl)methyl]-3-(6-oxooctyl)-tetradecahydro-1H-pyrido[1,2-a]1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrone
Other name (7)：
  • アピシジン
  • Apicidin
  • Cyclo[L-Ile-D-Pip-[(S)-2-amino*-8-oxodecanoyl]-1-methoxy-L-Trp-]
  • Cyclo[D-Hpr-6-(2-oxobutyl)-L-Nle-1-methoxy-L-Trp-L-Ile-]
  • OSI-2040
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CAS registry number： 183506-66-3
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